N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

C15H27N3O2 — CID 62430126

IUPACN-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)CC2CCCCO2)on1
InChIInChI=1S/C15H27N3O2/c1-3-7-16-10-13-9-15(20-17-13)12-18(2)11-14-6-4-5-8-19-14/h9,14,16H,3-8,10-12H2,1-2H3
InChIKeyNJSQEHIRDPKETA-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.18
Rot. Bonds8

About N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62430126) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62430126
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)CC2CCCCO2)on1
InChIInChI=1S/C15H27N3O2/c1-3-7-16-10-13-9-15(20-17-13)12-18(2)11-14-6-4-5-8-19-14/h9,14,16H,3-8,10-12H2,1-2H3
InChIKeyNJSQEHIRDPKETA-UHFFFAOYSA-N
XLogP2.18
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62429059
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63656925
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
CID 99613583
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692
N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80631876
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 62429064
N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
CID 62431740
N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63706151
N-[[5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63864372
N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62294783
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63656726
N-[[2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-3-yl]methyl]ethanamine
CID 62435009

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62430126) is N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN(C)CC2CCCCO2)on1.
What is the InChIKey of N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is NJSQEHIRDPKETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-7-16-10-13-9-15(20-17-13)12-18(2)11-14-6-4-5-8-19-14/h9,14,16H,3-8,10-12H2,1-2H3.
What are the key properties of N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62430126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).